CRL 40854
TL;DR: CRL 40854 (CAS 85540-78-9) is a chemical compound with molecular formula C12H19ClFNO and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(tert-butylamino)-1-(4-fluorophenyl)ethanol;hydrochloride
Also Known As: CRL 40854, 1-(4-Fluorophenyl)-2-tertiary-butylamino-1-ethanol hydrochloride, alpha-(((1,1-Dimethylethyl)amino)methyl)-4-fluorobenzenemethanol hydrochloride, Benzenemethanol, alpha-(((1,1-dimethylethyl)amino)methyl)-4-fluoro-, hydrochloride, 2-(tert-butylamino)-1-(4-fluorophenyl)ethanol hydrochloride
| Molecular Formula | C12H19ClFNO |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 2.669 |
| Topological Polar Surface Area | 32.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.11392 |
| Heavy Atoms | 16 |
| Complexity | 307.78995 |
Chemical Identifiers
| CAS Number | 85540-78-9 |
|---|---|
| SMILES | CC(C)(C)NCC(C1=CC=C(C=C1)F)O.Cl |
Product Overview
CRL 40854 (CAS 85540-78-9), with molecular formula C12H19ClFNO and molecular weight 247.11 g/mol. IUPAC: 2-(tert-butylamino)-1-(4-fluorophenyl)ethanol;hydrochloride.
Chemical Property Profile of CRL 40854
Property Insights of CRL 40854
The XLogP value of 2.669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CRL 40854. With a topological polar surface area (TPSA) of 32.26 Ų, CRL 40854 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CRL 40854 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CRL 40854?
The CAS number of CRL 40854 is 85540-78-9.
What is the molecular formula of CRL 40854?
The molecular formula of CRL 40854 is C12H19ClFNO.
What is the molecular weight of CRL 40854?
The molecular weight of CRL 40854 is 247.11 g/mol.
Where can I buy CRL 40854?
You can request a quote for CRL 40854 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CRL 40854?
Yes, KEHONG BIO provides custom synthesis services for CRL 40854 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.